4-methoxy-2-(4-methoxyoxan-2-yl)oxyoxane

C12H22O5 — CID 54561464

IUPAC4-methoxy-2-(4-methoxyoxan-2-yl)oxyoxane
SMILESCOC1CCOC(OC2CC(OC)CCO2)C1
InChIInChI=1S/C12H22O5/c1-13-9-3-5-15-11(7-9)17-12-8-10(14-2)4-6-16-12/h9-12H,3-8H2,1-2H3
InChIKeyZQVMXWDQXLWKLE-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.31
Rot. Bonds4

About 4-methoxy-2-(4-methoxyoxan-2-yl)oxyoxane

4-methoxy-2-(4-methoxyoxan-2-yl)oxyoxane (PubChem CID 54561464) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 4-methoxy-2-(4-methoxyoxan-2-yl)oxyoxane.

Molecular Properties

Compound Name4-methoxy-2-(4-methoxyoxan-2-yl)oxyoxane
PubChem CID54561464
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name4-methoxy-2-(4-methoxyoxan-2-yl)oxyoxane
SMILESCOC1CCOC(OC2CC(OC)CCO2)C1
InChIInChI=1S/C12H22O5/c1-13-9-3-5-15-11(7-9)17-12-8-10(14-2)4-6-16-12/h9-12H,3-8H2,1-2H3
InChIKeyZQVMXWDQXLWKLE-UHFFFAOYSA-N
XLogP1.31
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methoxyoxan-2-yl)oxyoxane?
The IUPAC name of 4-methoxy-2-(4-methoxyoxan-2-yl)oxyoxane (CID 54561464) is 4-methoxy-2-(4-methoxyoxan-2-yl)oxyoxane.
What is the SMILES notation for 4-methoxy-2-(4-methoxyoxan-2-yl)oxyoxane?
The canonical SMILES for 4-methoxy-2-(4-methoxyoxan-2-yl)oxyoxane is COC1CCOC(OC2CC(OC)CCO2)C1.
What is the InChIKey of 4-methoxy-2-(4-methoxyoxan-2-yl)oxyoxane?
The InChIKey is ZQVMXWDQXLWKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-13-9-3-5-15-11(7-9)17-12-8-10(14-2)4-6-16-12/h9-12H,3-8H2,1-2H3.
What are the key properties of 4-methoxy-2-(4-methoxyoxan-2-yl)oxyoxane?
4-methoxy-2-(4-methoxyoxan-2-yl)oxyoxane has a molecular weight of 246.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methoxyoxan-2-yl)oxyoxane is sourced from PubChem (CID 54561464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).